PNR
  CCTOOLS-0919241033

 62 62  0  0  0  0  0  0  0  0999 V2000
   10.2900    2.1700    0.7030 O   0  0  0  0  0
   10.0030    1.3530   -0.1530 N   0  3  0  0  0
   10.7550    1.1650   -1.0920 O   0  5  0  0  0
    8.7430    0.5830   -0.0490 C   0  0  0  0  0
    8.4210   -0.3480   -1.0180 C   0  0  0  0  0
    7.2450   -1.0680   -0.9240 C   0  0  0  0  0
    7.8920    0.7940    1.0210 C   0  0  0  0  0
    6.7160    0.0760    1.1210 C   0  0  0  0  0
    6.3880   -0.8550    0.1460 C   0  0  0  0  0
    5.2300   -1.5610    0.2410 O   0  0  0  0  0
    4.0850   -0.8820    0.0650 C   0  0  0  0  0
    4.1170    0.2790   -0.2690 O   0  0  0  0  0
    2.7610   -1.5670    0.2840 C   0  0  0  0  0
    1.6250   -0.5780    0.0190 C   0  0  0  0  0
    0.2800   -1.2740    0.2410 C   0  0  0  0  0
   -0.8560   -0.2840   -0.0240 C   0  0  0  0  0
   -2.2000   -0.9800    0.1980 C   0  0  0  0  0
   -3.3370    0.0090   -0.0670 C   0  0  0  0  0
   -4.6810   -0.6870    0.1550 C   0  0  0  0  0
   -5.8180    0.3030   -0.1110 C   0  0  0  0  0
   -7.1620   -0.3930    0.1120 C   0  0  0  0  0
   -8.2980    0.5960   -0.1540 C   0  0  0  0  0
   -9.6430   -0.1000    0.0680 C   0  0  0  0  0
  -10.7790    0.8900   -0.1970 C   0  0  0  0  0
  -12.1240    0.1940    0.0250 C   0  0  0  0  0
  -13.2600    1.1840   -0.2400 C   0  0  0  0  0
  -14.6040    0.4880   -0.0180 C   0  0  0  0  0
    9.0890   -0.5140   -1.8510 H   0  0  0  0  0
    6.9940   -1.7950   -1.6810 H   0  0  0  0  0
    8.1480    1.5190    1.7790 H   0  0  0  0  0
    6.0520    0.2400    1.9570 H   0  0  0  0  0
    2.6730   -2.4130   -0.3980 H   0  0  0  0  0
    2.7010   -1.9220    1.3130 H   0  0  0  0  0
    1.7130    0.2680    0.7010 H   0  0  0  0  0
    1.6850   -0.2230   -1.0100 H   0  0  0  0  0
    0.1920   -2.1200   -0.4410 H   0  0  0  0  0
    0.2210   -1.6280    1.2700 H   0  0  0  0  0
   -0.7680    0.5620    0.6570 H   0  0  0  0  0
   -0.7960    0.0710   -1.0530 H   0  0  0  0  0
   -2.2890   -1.8260   -0.4840 H   0  0  0  0  0
   -2.2600   -1.3350    1.2270 H   0  0  0  0  0
   -3.2490    0.8550    0.6140 H   0  0  0  0  0
   -3.2770    0.3640   -1.0960 H   0  0  0  0  0
   -4.7690   -1.5330   -0.5270 H   0  0  0  0  0
   -4.7410   -1.0410    1.1840 H   0  0  0  0  0
   -5.7290    1.1490    0.5710 H   0  0  0  0  0
   -5.7580    0.6580   -1.1390 H   0  0  0  0  0
   -7.2500   -1.2390   -0.5700 H   0  0  0  0  0
   -7.2220   -0.7480    1.1400 H   0  0  0  0  0
   -8.2100    1.4420    0.5280 H   0  0  0  0  0
   -8.2390    0.9510   -1.1830 H   0  0  0  0  0
   -9.7310   -0.9450   -0.6130 H   0  0  0  0  0
   -9.7030   -0.4540    1.0970 H   0  0  0  0  0
  -10.6910    1.7360    0.4850 H   0  0  0  0  0
  -10.7190    1.2450   -1.2250 H   0  0  0  0  0
  -12.2120   -0.6520   -0.6560 H   0  0  0  0  0
  -12.1830   -0.1610    1.0540 H   0  0  0  0  0
  -13.1720    2.0290    0.4420 H   0  0  0  0  0
  -13.2000    1.5380   -1.2690 H   0  0  0  0  0
  -15.4140    1.1920   -0.2060 H   0  0  0  0  0
  -14.6930   -0.3580   -0.6990 H   0  0  0  0  0
  -14.6640    0.1330    1.0110 H   0  0  0  0  0
  2  4  1  0  0  0
  2  1  2  0  0  0
  3  2  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  5  4  1  0  0  0
  5 28  1  0  0  0
  6  9  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9  8  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 13 11  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 13  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 15  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 22  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 23  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 25 24  1  0  0  0
 25 56  1  0  0  0
 25 57  1  0  0  0
 26 27  1  0  0  0
 26 25  1  0  0  0
 26 58  1  0  0  0
 26 59  1  0  0  0
 27 60  1  0  0  0
 27 61  1  0  0  0
 27 62  1  0  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END
$$$$
